Chemical ID: 6590359

Cc1ccc(cc1)CNC(=O)COc2ccccc2C#N
Chemical ID:
6590359
Name [?]:
2-(2-cyanophenoxy)-N-(p-tolylmethyl)acetamide
SMILES [?]:
Cc1ccc(cc1)CNC(=O)COc2ccccc2C#N
InChi [?]:
InChI=1/C17H16N2O2/c1-13-6-8-14(9-7-13)11-19-17(20)12-21-16-5-3-2-4-15(16)10-18/h2-9H,11-12H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,3,7,4,6,20,8,12,2,5,19,14,10,21,9,11,13/E:(6,7)(8,9)/rA:21nCCCCCCCCNCOCOCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;t20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.33781
Area:517.339
Solvation:-4.59567
Coulombic:-33.2115
Bond Count [?]
All:22
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:280.321
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.98
LogP (Chemaxon):2.78

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Descriptor Annotations

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